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Home/Tasks/OQMD
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OQMD

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Quick Tool Decision

Should you use OQMD?

OQMD is a database of DFT calculated thermodynamic and structural properties of materials.

Category

Data & ML

Data confidence: release and verification fields are source-audited when available; other summary fields are community-aggregated.

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Overview

The Open Quantum Materials Database (OQMD) is a comprehensive database containing the thermodynamic and structural properties of over 1.4 million materials, calculated using Density Functional Theory (DFT). Developed at Northwestern University, it serves as a valuable resource for researchers and scientists in materials science, chemistry, and physics. OQMD allows users to search for materials based on composition, query specific properties, create phase diagrams, and visualize crystal structures. The database is designed to facilitate the discovery of new materials and the understanding of existing ones, enabling accelerated materials design and development. The OQMD is licensed under CC-BY 4.0, promoting open access and collaboration within the scientific community. It provides both a web interface and a RESTful API for accessing the data.

Common tasks

Search for materials by compositionQuery materials data based on propertiesCreate phase diagramsDetermine ground state compositionsVisualize crystal structuresAccess data via RESTful API (OPTIMADE)Download materials data

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Pricing

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Plan-level pricing details are still being validated for this tool.

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